1-(Chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-4-(octylsulfinylmethyl)benzene | 276690-71-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(Chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-4-(octylsulfinylmethyl)benzene
• CAS: 276690-71-2
• 化学式: C₂₇H₄₇ClO₃S
• 分子量: 487.187
• InChiKey: QOXWAUXNZFZQFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  32
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  54.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(Chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-4-(octylsulfinylmethyl)benzene 、 仲丁醇 在 sodium t-butanolate 作用下， 生成
  参考文献：
  名称：

  Kinetic and Mechanistic Study on p-Quinodimethane Formation in the Sulfinyl Precursor Route for the Polymerization of Poly(p-phenylenevinylene) (PPV)

  摘要：

  The kinetics of p-quinodimethane formation in the sulfinyl precursor route for the poly(p-phenylenevinylene) (PPV) polymerization was studied using stop-flow UV-vis spectroscopy and theoretical first principle calculations. Different sulfinyl monomers were studied by means of quantitative kinetic experiments regarding the p-quinodimethane formation in 2-butanol. The influence of the solvent, the nature of the aromatic moiety, and the substituents on the phenyl core was analyzed by means of qualitative experiments. Quantitative measurements, using pseudo-first-order reaction conditions, were performed in order to assess the effect of the polarizer and the leaving group on the reaction rates. To obtain additional fundamental insight into the pathway leading to p-quinodimethane formation, density functional theory calculations were performed and subsequent reaction rate coefficients were determined from a theoretical point of view, enabling a profound comparison with experiment. From all these data, an E-2 mechanism is proposed for the p-quinodimethane formation in the sulfinyl precursor route.

  DOI：

  10.1021/ma1013012
• 作为产物：
  描述：

  2,5-双(氯甲基)-1-甲氧基-4-(3,7-二甲基辛氧基)苯 在 potassium hydroxide 、 sodium t-butanolate 作用下， 以 甲醇 为溶剂， 反应 75.5h， 生成 1-(Chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-4-(octylsulfinylmethyl)benzene 、 1-Chloromethyl-2-methoxy-5-(3,7-dimethyloctyloxy)-4-[(octylsulfinyl)methyl] benzene
  参考文献：
  名称：

  [EN] BLOCK COPOLYMER MICELLES
  [FR] MICELLES DE COPOLYMÈRE SÉQUENCÉ

  摘要：

  在第一个方面，本发明涉及使用一个两性块共聚物的胶束来修改细胞，其中该两性块共聚物包括一个或多个疏水块和一个或多个亲水块，其中至少一个块包含一个共轭聚合物，且该胶束可选地装载有化合物。

  公开号：

  WO2017182422A1

文献信息

• VERFAHREN ZUR HERSTELLUNG VON DERIVATEN DES POLYARYLENVINYLEN
  申请人：Covion Organic Semiconductors GmbH

  公开号：EP1159327B1

  公开（公告）日：2006-04-12
• US6936683B1
  申请人：——

  公开号：US6936683B1

  公开（公告）日：2005-08-30
• [DE] VERFAHREN ZUR HERSTELLUNG VON DERIVATEN DES POLYARYLENVINYLEN<br/>[EN] METHOD OF PRODUCING DERIVATIVES OF POLYARYLENE VINYLENE<br/>[FR] PROCEDE POUR PREPARER DES DERIVES DE VINYLENE DE POLYARYLENE
  申请人：AXIVA GMBH

  公开号：WO2000035987A1

  公开（公告）日：2000-06-22

  Die vorliegende Erfindung betrifft ein ausgewähltes Verfahren zur Herstellung von Polyarylenvinylenen. Diese konjugierten Polymere sind für Elektrolumineszenzanwendungen geeignet.
• [EN] BLOCK COPOLYMER MICELLES<br/>[FR] MICELLES DE COPOLYMÈRE SÉQUENCÉ
  申请人：IMEC VZW

  公开号：WO2017182422A1

  公开（公告）日：2017-10-26

  In a first aspect, the present invention relates to the use of a micelle of an amphiphilic block copolymer to modify a cell, wherein the amphiphilic block copolymer comprises one or more hydrophobic blocks and one or more hydrophilic blocks, wherein at least one block comprises a conjugated polymer, and wherein the micelle is optionally loaded with a compound therein.

  在第一个方面，本发明涉及使用一个两性块共聚物的胶束来修改细胞，其中该两性块共聚物包括一个或多个疏水块和一个或多个亲水块，其中至少一个块包含一个共轭聚合物，且该胶束可选地装载有化合物。
• Kinetic and Mechanistic Study on <i>p-</i>Quinodimethane Formation in the Sulfinyl Precursor Route for the Polymerization of Poly(<i>p</i>-phenylenevinylene) (PPV)
  作者：Laura Hermosilla、Saron Catak、Veronique Van Speybroeck、Michel Waroquier、Joke Vandenbergh、Filip Motmans、Peter Adriaensens、Laurence Lutsen、Thomas Cleij、Dirk Vanderzande

  DOI：10.1021/ma1013012

  日期：2010.9.28

  The kinetics of p-quinodimethane formation in the sulfinyl precursor route for the poly(p-phenylenevinylene) (PPV) polymerization was studied using stop-flow UV-vis spectroscopy and theoretical first principle calculations. Different sulfinyl monomers were studied by means of quantitative kinetic experiments regarding the p-quinodimethane formation in 2-butanol. The influence of the solvent, the nature of the aromatic moiety, and the substituents on the phenyl core was analyzed by means of qualitative experiments. Quantitative measurements, using pseudo-first-order reaction conditions, were performed in order to assess the effect of the polarizer and the leaving group on the reaction rates. To obtain additional fundamental insight into the pathway leading to p-quinodimethane formation, density functional theory calculations were performed and subsequent reaction rate coefficients were determined from a theoretical point of view, enabling a profound comparison with experiment. From all these data, an E-2 mechanism is proposed for the p-quinodimethane formation in the sulfinyl precursor route.